CID 102514993

6-[(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3r,4s,5s,6r)-4,5,6-trihydroxyoxan-3-yl]oxyoxan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one

Structural Information

Molecular Formula
C26H28O14
SMILES
C1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2C3=C(C4=C(C=C3O)OC(=CC4=O)C5=CC=C(C=C5)O)O)CO)O)O
InChI
InChI=1S/C26H28O14/c27-7-15-19(31)22(34)25(40-16-8-37-26(36)23(35)20(16)32)24(39-15)18-12(30)6-14-17(21(18)33)11(29)5-13(38-14)9-1-3-10(28)4-2-9/h1-6,15-16,19-20,22-28,30-36H,7-8H2/t15-,16-,19-,20-,22+,23+,24+,25-,26-/m1/s1
InChIKey
AGWLCWWJARYSTD-MCTXPTQWSA-N
Compound name
6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3R,4S,5S,6R)-4,5,6-trihydroxyoxan-3-yl]oxyoxan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

564.1479 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 565.15518 227.9
[M+Na]+ 587.13712 228.6
[M+NH4]+ 582.18172 227.7
[M+K]+ 603.11106 234.3
[M-H]- 563.14062 221.2
[M+Na-2H]- 585.12257 246.3
[M]+ 564.14735 225.7
[M]- 564.14845 225.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.